Magnetocaloric effect in ternary ErAgAl: Ab initio, mean field and Monte Carlo approaches

被引:10
|
作者
Bouhani, H. [1 ]
Zaari, H. [1 ]
El Kenz, A. [1 ]
Loulidi, M. [1 ]
Benyoussef, A. [1 ,2 ,3 ]
机构
[1] Mohammed V Univ, Fac Sci, Dept Phys, Lab Magnetism & High Energies Phys, URAC 12,BP 1014, Rabat, Morocco
[2] MAScIR Fdn, Inst Nanomat & Nanotechnol, Mat & Nanomat Ctr, BP 10100, Rabat, Morocco
[3] Hassan II Acad Sci & Technol, Rabat, Morocco
关键词
Magneto-caloric effect; Relative cooling power; Electronic structure; Monte Carlo simulation; Ferromagnetism; MAGNETIC STATE; RAGAL R; HO;
D O I
10.1016/j.rinp.2018.07.039
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
ErAgAl has been known as an orthorhombic system of the CeCu2-type with ferromagnetic ground state. In this work, the magnetic and magnetocaloric effect has been studied using first principles calculations, Monte Carlo and Mean Field approaches. The adiabatic temperature change, the isothermal entropy change, and the relative cooling power (RCP) have been calculated. The Erbium magnetic moment calculated by FP-LAPW method is 8.21 mu(B), in good agreement with experimental data. The compound exhibits a second order phase transition from paramagnetic to ferromagnetic state at Tc= 14 K. The isothermal entropy change (-Delta S-M(max)) reaches a maximum value equal to -12.24 J Kg(-1) K-1 for a magnetic field of 6 T showing a large magneto-caloric effect around the Curie temperature with no obvious thermal and magnetic hysteresis loss in good agreement with experimental data. The obtained results make the compound suitable for magnetic refrigeration at low temperature regime.
引用
收藏
页码:849 / 855
页数:7
相关论文
共 50 条
  • [21] The auxiliary field Monte Carlo method for ab initio electronic structure of molecules.
    Baer, R
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U503 - U503
  • [22] Monte Carlo calculations of the magnetocaloric effect in gadolinium
    Nobrega, E. P.
    de Oliveira, N. A.
    von Ranke, P. J.
    Troper, A.
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2008, 320 (14) : E147 - E149
  • [23] Magnetic Properties of the DoublePerovskite Ba2CoUO6: Ab Initio Method, Mean Field Approximation, and Monte Carlo Study
    M. Arejdal
    M. Kadiri
    A. Abbassi
    A. Slassi
    A. Ait Raiss
    L. Bahmad
    A. Benyoussef
    Journal of Superconductivity and Novel Magnetism, 2016, 29 : 2659 - 2667
  • [24] Magnetic Properties of the DoublePerovskite Ba2CoUO6: Ab Initio Method, Mean Field Approximation, and Monte Carlo Study
    Arejdal, M.
    Kadiri, M.
    Abbassi, A.
    Slassi, A.
    Raiss, A. Ait
    Bahmad, L.
    Benyoussef, A.
    JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2016, 29 (10) : 2659 - 2667
  • [25] Large magnetocaloric effect, magnetic and electronic properties in Ho3Pd2 compound: Ab initio calculations and Monte Carlo simulations
    Kadim, G.
    Masrour, R.
    Jabar, A.
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2020, 499
  • [26] Ab initio computations of molecular systems by the auxiliary-field quantum Monte Carlo method
    Motta, Mario
    Zhang, Shiwei
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2018, 8 (05)
  • [27] Path integral Monte Carlo method for ab initio calculation
    Kawabe, H
    Nagao, H
    Nishikawa, K
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1996, 60 (07) : 1223 - 1230
  • [28] Path Integral Monte Carlo Method for Ab Initio Calculation
    Kawabe, H.
    Nagao, H.
    Nishikawa, K.
    International Journal of Quantum Chemistry, 60 (07):
  • [29] Monte Carlo simulations of nitrogen using an ab initio potential
    Leonhard, K
    Deiters, UK
    MOLECULAR PHYSICS, 2002, 100 (15) : 2571 - 2585
  • [30] Monte Carlo Shell Model for ab initio nuclear structure
    Abe, T.
    Maris, P.
    Otsuka, T.
    Shimizu, N.
    Utsuno, Y.
    Vary, J. P.
    INPC 2013 - INTERNATIONAL NUCLEAR PHYSICS CONFERENCE, VOL. 1, 2014, 66